(2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylene]-6-hydroxy-benzofuran-3-one CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(3,4-dimethoxyphenyl)methylidene]-6-hydroxy-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-veratrylidene-coumaran-3-one Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4)OC

InChI

InChI=1S/C24H27NO5/c1-28-20-10-7-16(13-21(20)29-2)14-22-23(27)17-8-9-19(26)18(24(17)30-22)15-25-11-5-3-4-6-12-25/h7-10,13-14,26H,3-6,11-12,15H2,1-2H3/p+1/b22-14-